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128765-74-2 | Carbonic acid, methyl 2-oxopropyl ester
CAS No: 128765-74-2 Catalog No: AG000YDZ MDL No:MFCD24695908
Product Description
Catalog Number:
AG000YDZ
Chemical Name:
Carbonic acid, methyl 2-oxopropyl ester
CAS Number:
128765-74-2
Molecular Formula:
C5H8O4
Molecular Weight:
132.1146
MDL Number:
MFCD24695908
IUPAC Name:
2-oxobutyl carbonate
InChI:
InChI=1S/C5H8O4/c1-2-4(6)3-9-5(7)8/h2-3H2,1H3,(H,7,8)/p-1
InChI Key:
PPCFMSAVVBIKCV-UHFFFAOYSA-M
SMILES:
COC(=O)OCC(=O)C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.034g/mol
Formal Charge:
-1
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.107g/mol
Monoisotopic Mass:
131.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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